2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one

C18H18O2 — CID 114673641

IUPAC2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
SMILESCCc1ccc(C2CC(=O)c3cc(C)ccc3O2)cc1
InChIInChI=1S/C18H18O2/c1-3-13-5-7-14(8-6-13)18-11-16(19)15-10-12(2)4-9-17(15)20-18/h4-10,18H,3,11H2,1-2H3
InChIKeyWHWXJPUKIWHJMM-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.26
Rot. Bonds2

About 2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one

2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one (PubChem CID 114673641) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
PubChem CID114673641
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
SMILESCCc1ccc(C2CC(=O)c3cc(C)ccc3O2)cc1
InChIInChI=1S/C18H18O2/c1-3-13-5-7-14(8-6-13)18-11-16(19)15-10-12(2)4-9-17(15)20-18/h4-10,18H,3,11H2,1-2H3
InChIKeyWHWXJPUKIWHJMM-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2-(4-ethylphenyl)-2,3-dihydrochromen-4-one
CID 114673270
6-methyl-2-(1-propylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 103573832
4-(7-ethyl-4-oxo-2,3-dihydrochromen-2-yl)benzoic acid
CID 82047567
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673668
2-(2,3-dimethylphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673693
(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 77105169
(4S)-2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950688
(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 804880
2-(4-ethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715251
2-(2,5-dimethylphenyl)-6-fluoro-2,3-dihydrochromen-4-one
CID 114672012
2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-methyl-2,3-dihydrochromen-4-one
CID 142891560

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one (CID 114673641) is 2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one is CCc1ccc(C2CC(=O)c3cc(C)ccc3O2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one?
The InChIKey is WHWXJPUKIWHJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-13-5-7-14(8-6-13)18-11-16(19)15-10-12(2)4-9-17(15)20-18/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one?
2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one has a molecular weight of 266.34 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-6-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114673641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).